CID 818921

4-(thiophen-3-yl)-1h-pyrazole

Structural Information

Molecular Formula
C7H6N2S
SMILES
C1=CSC=C1C2=CNN=C2
InChI
InChI=1S/C7H6N2S/c1-2-10-5-6(1)7-3-8-9-4-7/h1-5H,(H,8,9)
InChIKey
QCHPFTILUWYZIO-UHFFFAOYSA-N
Compound name
4-thiophen-3-yl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

150.02516 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.032436 126.6
[M+Na]+ 173.014378 138.0
[M-H]- 149.017884 131.0
[M+NH4]+ 168.058983 149.0
[M+K]+ 188.988318 134.8
[M+H-H2O]+ 133.022420 120.4
[M+HCOO]- 195.023361 147.5
[M+CH3COO]- 209.039011 141.5
[M+Na-2H]- 170.999826 130.0
[M]+ 150.02461142 128.2
[M]- 150.02570858 128.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe